Base information
| Cat. No. | |
| CAS No. | 1254730-41-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.19 |
| Exact Mass | 173.015 |
| XLogP3 | 0.8592 |
| Mr | 40.1567 |
| PSA | 75.38 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]cccc1S(=O)(=O)C |
